4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide

C14H21N3O3 — CID 120829043

IUPAC4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
SMILESCNC(C)CNC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-10(15-2)8-16-13(18)9-17-14(19)11-4-6-12(20-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFMLGYAPESQIOOZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.15
Rot. Bonds7

About 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide

4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide (PubChem CID 120829043) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
PubChem CID120829043
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
SMILESCNC(C)CNC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-10(15-2)8-16-13(18)9-17-14(19)11-4-6-12(20-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFMLGYAPESQIOOZ-UHFFFAOYSA-N
XLogP0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
N-[2-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 71129478
4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120826642
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46755792
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
CID 120827577
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide (CID 120829043) is 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide is CNC(C)CNC(=O)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide?
The InChIKey is FMLGYAPESQIOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(15-2)8-16-13(18)9-17-14(19)11-4-6-12(20-3)7-5-11/h4-7,10,15H,8-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide?
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 120829043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).